[(3S,4S)-1-(2-ethoxyethyl)-3-methyl-piperidin-1-ium-4-yl] benzoate

Systemtic Name: [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-piperidin-1-ium-4-yl] benzoate Openeye Name: [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-piperidin-1-ium-4-yl] benzoate CAS Name: benzoic acid [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-4-piperidin-1-iumyl] ester IUPAC Name: [(3S,4S)-1-(2-ethoxyethyl)-3-methylpiperidin-1-ium-4-yl] benzoate Traditional Name: benzoic acid [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-piperidin-1-ium-4-yl] ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[NH+]1CCC(C(C1)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOCC[NH+]1CC[C@@H]([C@H](C1)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO3/c1-3-20-12-11-18-10-9-16(14(2)13-18)21-17(19)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3/p+1/t14-,16-/m0/s1